SCHEMBL14037460

SCHEMBL14037460

O=[N+]([O-])c1[nH]cnc1Br

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL250367 0.76 TAAR1 (0.46)
SCHEMBL892031 0.74
SCHEMBL4263926 0.74
SCHEMBL1533571 0.74
Ammonia Solution, Strong SCHEMBL29101971 0.74 TAAR1 (0.45)
SCHEMBL2059056 0.74
SCHEMBL22686237 0.71 TAAR1 (0.58)
SCHEMBL1523197 0.70
SCHEMBL14037442 0.69 TAAR1 (0.41)
SCHEMBL5746177 0.69 CYP2C19 (0.46)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126338-A Preparation method and application of ZIFs material with cage-shaped finite structure and hydrogen bonding action site 太原理工大学 2024-06-04 CN claimed
CN-113271939-B Imidazole tetrazine compounds 伊利诺伊大学董事会 2025-03-07 CN disclosed
US-20250066371-A1 FLUOROALKOXYALKYLENE-DIHYDROIMIDAZO[5,1-D]TETRAZINONE COMPOUNDS AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS MODIFI BIOSCIENCES, INC. 2025-02-27 US disclosed
US-12234240-B2 Substituted imidazo[5,1-d][1,2,3,5]tetrazines for the treatment of cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-02-25 US disclosed
CN-118126338-A Preparation method and application of ZIFs material with cage-shaped finite structure and hydrogen bonding action site 太原理工大学 2024-06-04 CN disclosed
US-20240124462-A9 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-04-18 US disclosed
US-20240059680-A1 N-(2,3-DIHYDRO-1,4-BENZOXAZIN-4-YL)-3-ISOPROPYL-7-(2,3,5-TRIFLUOROPHENYL)BENZO-THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND SIMILAR COMPOUNDS FOR THE TREATMENT OF HEARTWORM INFECTIONS ELANCO TIERGESUNDHEIT AG (CH) 2024-02-22 US disclosed
CN-116685584-A N- (2, 3-dihydro-1, 4-benzoxazin-4-yl) -3-isopropyl-7- (2, 3, 5-trifluorophenyl) benzothiophene-2-carboxamide derivatives and similar compounds for the treatment of heartworm infections 礼蓝动物保健有限公司 2023-09-01 CN disclosed
US-20230183252-A1 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-06-15 US disclosed
US-20230183252-A1 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-06-15 US disclosed
US-20210315886-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-10-14 US disclosed
CN-113271939-A Imidazole tetrazine compounds 伊利诺伊大学董事会 2021-08-17 CN disclosed
EP-3833342-A1 IMIDAZOTETRAZINE COMPOUNDS The Board of Trustees of the University of Illinois (US) 2021-06-16 EP disclosed
US-20210002286-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-01-07 US disclosed
WO-2020033880-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-02-13 WO disclosed
EP-1744720-B1 KERATIN DYEING COMPOSITIONS CONTAINING bicyclic 5-5 heteroaromatic compounds PROCTER & GAMBLE (US) 2008-11-26 EP disclosed
US-7255835-B2 Single pass attenuated total reflection fourier transform infrared microscopy apparatus and method for identifying protein secondary structure, surface charge and binding affinity NORTH CAROLINA STATE UNIVERSITY (US) 2007-08-14 US disclosed
US-7255835-B2 Single pass attenuated total reflection fourier transform infrared microscopy apparatus and method for identifying protein secondary structure, surface charge and binding affinity NORTH CAROLINA STATE UNIVERSITY (US) 2007-08-14 US disclosed
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 US disclosed
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 US disclosed